GDPβS - Moligand™ , CAS No.71376-97-1

CAS: 71376-97-1 Cat. No.: G610538 PubChem CID: 135410865

GRADE & PURITY Moligand™

Synonyms

Gdp(beta-S)|GDP-beta-S|GDPbetaS|Guanosine 5'-O-(2-thiodiphosphate)|Guanyl-5'-yl thiophosphate|71376-97-1|GDP-bS|guanosine 5'-(trihydrogen 3-thiodiphosphate)|5'-Guanylic acid, monoanhydride with phosphorothioic acid|GTPL5416|SCHEMBL2706655|CHEBI:38309|Guan

Storage

Room temperature

Specifications

Sinónimos

Gdp(beta-S) | GDP-beta-S | GDPbetaS | Guanosine 5'-O-(2-thiodiphosphate) | Guanyl-5'-yl thiophosphate | 71376-97-1 | GDP-bS | guanosine 5'-(trihydrogen 3-thiodiphosphate) | 5'-Guanylic acid, monoanhydride with phosphorothioic acid | GTPL5416 | SCHEMBL2706655 | CHEBI:38309 | Guan

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Nombres e identificadores

Sonrisas canónicas

O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O

IUPAC Name

[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate

InChIKey

QJXJXBXFIOTYHB-UUOKFMHZSA-N

INCHI

1S/C10H15N5O10P2S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-26(19,20)25-27(21,22)28/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H2,21,22,28)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

Isómeros SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N

PubChem CID

135410865

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Clase Purine nucleotides
      • Subclass Purine ribonucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: Purine nucleotides
• Subclass: Purine ribonucleotides
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine ribonucleoside monophosphates
• Alternative Parents: Pentose phosphates Glycosylamines 6-oxopurines Hypoxanthines Monosaccharide phosphates Aminopyrimidines and derivatives Pyrimidones Monoalkyl phosphates N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds 1,2-diols Secondary alcohols Azacyclic compounds Oxacyclic compounds Primary amines Hydrocarbon derivatives Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Monosaccharide phosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - Pyrimidone - Alkyl phosphate - Pyrimidine - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Tetrahydrofuran - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - 1,2-diol - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.
• External Descriptors: nucleoside diphosphate analogue

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 459.270 g/mol
• XLogP3: -2.900
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 459.001 Da
• Monoisotopic Mass: 459.001 Da
• Topological Polar Surface Area: 263.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 765.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 71376-97-1. InChIKey QJXJXBXFIOTYHB-UUOKFMHZSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.